2-N-(1-benzothiophen-5-yl)-6-propan-2-yloxypyridine-2,5-diamine

C16H17N3OS — CID 65475242

IUPAC2-N-(1-benzothiophen-5-yl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCC(C)Oc1nc(Nc2ccc3sccc3c2)ccc1N
InChIInChI=1S/C16H17N3OS/c1-10(2)20-16-13(17)4-6-15(19-16)18-12-3-5-14-11(9-12)7-8-21-14/h3-10H,17H2,1-2H3,(H,18,19)
InChIKeyFFGNRCDAJPVZNR-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.41
Rot. Bonds4

About 2-N-(1-benzothiophen-5-yl)-6-propan-2-yloxypyridine-2,5-diamine

2-N-(1-benzothiophen-5-yl)-6-propan-2-yloxypyridine-2,5-diamine (PubChem CID 65475242) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-N-(1-benzothiophen-5-yl)-6-propan-2-yloxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(1-benzothiophen-5-yl)-6-propan-2-yloxypyridine-2,5-diamine
PubChem CID65475242
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-N-(1-benzothiophen-5-yl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCC(C)Oc1nc(Nc2ccc3sccc3c2)ccc1N
InChIInChI=1S/C16H17N3OS/c1-10(2)20-16-13(17)4-6-15(19-16)18-12-3-5-14-11(9-12)7-8-21-14/h3-10H,17H2,1-2H3,(H,18,19)
InChIKeyFFGNRCDAJPVZNR-UHFFFAOYSA-N
XLogP4.41
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzothiophen-5-yl)-6-propan-2-yloxypyridine-2,5-diamine?
The IUPAC name of 2-N-(1-benzothiophen-5-yl)-6-propan-2-yloxypyridine-2,5-diamine (CID 65475242) is 2-N-(1-benzothiophen-5-yl)-6-propan-2-yloxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(1-benzothiophen-5-yl)-6-propan-2-yloxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(1-benzothiophen-5-yl)-6-propan-2-yloxypyridine-2,5-diamine is CC(C)Oc1nc(Nc2ccc3sccc3c2)ccc1N.
What is the InChIKey of 2-N-(1-benzothiophen-5-yl)-6-propan-2-yloxypyridine-2,5-diamine?
The InChIKey is FFGNRCDAJPVZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-10(2)20-16-13(17)4-6-15(19-16)18-12-3-5-14-11(9-12)7-8-21-14/h3-10H,17H2,1-2H3,(H,18,19).
What are the key properties of 2-N-(1-benzothiophen-5-yl)-6-propan-2-yloxypyridine-2,5-diamine?
2-N-(1-benzothiophen-5-yl)-6-propan-2-yloxypyridine-2,5-diamine has a molecular weight of 299.40 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzothiophen-5-yl)-6-propan-2-yloxypyridine-2,5-diamine is sourced from PubChem (CID 65475242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).